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76H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAJsing1.53Å1.51Å
CAJCAKsing1.53Å1.52Å
CAKNARsing1.47Å1.49Å
N6C6sing1.38Å1.33Å
OAFCAZsing1.43Å1.42Å
NARCAYsing1.47Å1.52Å
CAZCBBsing1.54Å1.54Å
CAZCBAsing1.55Å1.54Å
N7C5sing1.35Å1.39ÅAromatic
N7C8doub1.30Å1.31ÅAromatic
CANCAYsing1.53Å1.54Å
CANCBBsing1.53Å1.53Å
C6C5doub1.41Å1.40ÅAromatic
C6N1sing1.33Å1.36ÅAromatic
C5C4sing1.41Å1.37ÅAromatic
C8N9sing1.36Å1.38ÅAromatic
N1C2doub1.32Å1.35ÅAromatic
CAYCAMsing1.53Å1.53Å
CBBOASsing1.44Å1.45Å
CBACBCsing1.55Å1.55Å
CBAOAGsing1.43Å1.41Å
C4N9sing1.37Å1.37ÅAromatic
C4N3doub1.33Å1.35ÅAromatic
N9CBCsing1.46Å1.46Å
C2N3sing1.32Å1.33ÅAromatic
CBCOASsing1.44Å1.43Å
CAMCBsing1.53Å1.51Å
CBCAsing1.53Å1.52Å
CANsing1.47Å1.50Å
CACsing1.51Å1.54Å
COdoub1.21Å1.25Å
COXTsing1.34Å1.25Å
C8H1sing1.08Å1.08Å
CAH3sing1.09Å1.10Å
NH4sing1.01Å1.00Å
NH5sing1.01Å1.00Å
CBH8sing1.09Å1.10Å
CBH7sing1.09Å1.10Å
CAMH9sing1.09Å1.10Å
CAMH10sing1.09Å1.10Å
CAYH11sing1.09Å1.10Å
NARH32sing1.01Å1.00Å
CAKH15sing1.09Å1.10Å
CAKH14sing1.09Å1.10Å
CAJH17sing1.09Å1.10Å
CAJH16sing1.09Å1.10Å
CAAH20sing1.09Å1.10Å
CAAH18sing1.09Å1.10Å
CAAH19sing1.09Å1.10Å
CANH21sing1.09Å1.10Å
CANH22sing1.09Å1.10Å
CBBH23sing1.09Å1.10Å
CAZH24sing1.09Å1.10Å
OAFH25sing0.97Å0.95Å
CBAH26sing1.09Å1.10Å
OAGH27sing0.97Å0.95Å
CBCH28sing1.09Å1.10Å
C2H29sing1.08Å1.08Å
N6H31sing0.97Å1.00Å
N6H30sing0.97Å1.00Å
OXTH2sing0.97Å0.95Å
NH6sing1.01Å1.00Å
NARH12sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAJCAK113.3°109.5°
CAACAJH17108.5°109.5°
CAACAJH16108.5°109.5°
CAJCAAH20109.5°109.4°
CAJCAAH18109.5°109.5°
CAJCAAH19109.5°109.5°
CAJCAKNAR112.0°109.5°
CAJCAKH15108.8°109.4°
CAJCAKH14108.8°109.5°
CAKCAJH17108.5°109.5°
CAKCAJH16108.5°109.5°
CAKNARCAY117.0°109.5°
CAKNARH32107.6°109.5°
NARCAKH15108.8°109.5°
NARCAKH14108.8°109.5°
CAKNARH12107.6°109.5°
N6C6C5123.2°120.8°
N6C6N1118.3°120.8°
C6N6H31109.5°120.0°
C6N6H30109.5°120.0°
OAFCAZCBB110.3°110.5°
OAFCAZCBA115.0°110.5°
OAFCAZH24110.8°110.6°
CAZOAFH25109.5°114.0°
NARCAYCAN110.9°109.5°
NARCAYCAM107.7°109.4°
NARCAYH11108.6°109.5°
CAYNARH32107.5°109.5°
CAYNARH12107.5°109.5°
CBBCAZCBA102.2°104.2°
CAZCBBCAN112.9°109.9°
CAZCBBOAS105.0°107.3°
CAZCBBH23108.7°110.0°
CBBCAZH24109.1°110.5°
CAZCBACBC101.2°102.1°
CAZCBAOAG111.0°110.9°
CBACAZH24109.1°110.5°
CAZCBAH26110.0°110.9°
C5N7C8104.6°109.4°
N7C5C6132.7°134.7°
N7C5C4110.6°107.1°
N7C8N9112.4°110.0°
N7C8H1123.8°125.0°
CAYCANCBB116.3°109.4°
CANCAYCAM112.7°109.4°
CANCAYH11108.3°109.5°
CAYCANH21107.8°109.5°
CAYCANH22107.7°109.5°
CANCBBOAS111.3°109.9°
CBBCANH21107.7°109.4°
CBBCANH22107.8°109.4°
CANCBBH23108.9°109.9°
C5C6N1118.5°118.5°
C6C5C4116.7°118.2°
C6N1C2118.3°121.2°
C5C4N9105.9°106.0°
C5C4N3126.5°119.1°
C8N9C4106.5°107.4°
C8N9CBC126.4°126.3°
N9C8H1123.8°125.0°
N1C2N3128.1°122.5°
N1C2H29116.0°118.7°
CAYCAMCB114.9°109.5°
CAYCAMH9108.1°109.5°
CAYCAMH10108.1°109.5°
CAMCAYH11108.5°109.4°
CBBOASCBC111.2°107.0°
OASCBBH23109.9°109.8°
CBCCBAOAG112.2°110.9°
CBACBCN9113.5°110.6°
CBACBCOAS105.8°103.5°
CBCCBAH26110.0°110.9°
CBACBCH28108.7°110.6°
OAGCBAH26111.9°110.8°
CBAOAGH27109.5°114.0°
N9C4N3127.6°134.9°
C4N9CBC127.1°126.3°
C4N3C2111.9°120.7°
N9CBCOAS108.7°110.6°
N9CBCH28109.8°110.7°
N3C2H29116.0°118.8°
OASCBCH28110.3°110.6°
CAMCBCA112.8°109.4°
CAMCBH8108.6°109.5°
CAMCBH7108.6°109.5°
CBCAMH9108.1°109.5°
CBCAMH10108.1°109.4°
CBCAN110.7°109.5°
CBCAC112.7°109.4°
CBCAH3107.8°109.5°
CACBH8108.6°109.6°
CACBH7108.6°109.5°
NCAC109.7°109.4°
NCAH3108.2°109.5°
CANH4109.5°109.5°
CANH5109.5°109.4°
CANH6109.5°109.5°
CACO117.2°120.0°
CACOXT117.3°120.0°
CCAH3107.6°109.4°
OCOXT125.5°120.0°
COXTH2109.5°117.0°
H4NH5109.4°109.4°
H4NH6109.5°109.5°
H5NH6109.5°109.5°
H8CBH7109.5°109.5°
H9CAMH10109.5°109.5°
H32NARH12109.5°109.4°
H15CAKH14109.5°109.5°
H17CAJH16109.5°109.4°
H20CAAH18109.5°109.5°
H20CAAH19109.5°109.5°
H18CAAH19109.4°109.4°
H21CANH22109.4°109.6°
H31N6H30109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAJCAKH17120.5°120.0°
CAACAJCAKH16120.6°120.1°
CAACAJCAKNAR177.8°180.0°
CAACAJCAKH1557.5°60.0°
CAACAJCAKH1461.8°60.0°
CAACAJH17H16118.3°120.0°
CAJCAAH20H18120.0°120.0°
CAJCAAH20H19120.0°120.0°
CAJCAAH18H19120.0°120.0°
CAJCAKNARH15120.4°120.0°
CAJCAKNARH14120.4°120.0°
CAJCAKNARCAY173.0°174.7°
CAJCAKNARH3251.9°54.7°
CAJCAKH15H14118.8°120.0°
CAKCAJH17H16118.3°120.0°
CAKCAJCAAH20180.0°60.0°
CAKCAJCAAH1860.0°60.0°
CAKCAJCAAH1960.0°180.0°
CAJCAKNARH1265.9°65.2°
CAKNARCAYH32121.1°120.0°
CAKNARCAYH12121.1°120.0°
CAKNARCAYCAN57.2°174.2°
CAKNARCAYCAM179.0°65.8°
CAKNARCAYH1161.8°54.1°
CAKNARH32H12116.6°120.0°
NARCAKH15H14118.8°120.0°
NARCAKCAJH1761.6°60.0°
NARCAKCAJH1657.3°60.0°
N6C6C5N70.1°0.1°
N6C6C5N1180.0°180.0°
N6C6C5C4180.0°180.0°
N6C6N1C2180.0°180.0°
C6N6H31H30120.0°180.0°
OAFCAZCBBCBA122.8°118.7°
OAFCAZCBBH24121.9°122.7°
OAFCAZCBAH24125.1°122.7°
OAFCAZCBBCAN84.0°119.9°
OAFCAZCBBOAS154.5°120.7°
OAFCAZCBACBC157.0°97.8°
OAFCAZCBAOAG37.7°20.4°
OAFCAZCBBH2336.9°1.2°
OAFCAZCBAH2686.8°144.0°
NARCAYCANCAM120.8°120.0°
NARCAYCANH11119.1°120.1°
NARCAYCANCBB178.6°65.0°
NARCAYCAMH11117.4°120.0°
NARCAYCAMCB141.4°174.5°
NARCAYCAMH920.7°65.5°
NARCAYCAMH1097.8°54.5°
CAYNARH32H12116.5°120.0°
CAYNARCAKH1566.6°65.3°
CAYNARCAKH1452.6°54.8°
NARCAYCANH2157.6°175.0°
NARCAYCANH2260.4°54.9°
CBBCAZCBAH24115.4°118.6°
CAZCBBCANCAY164.6°175.7°
CAZCBBCANOAS117.8°117.9°
CAZCBBCANH23120.8°121.2°
CAZCBBOASH23116.8°119.6°
CBBCAZCBACBC37.5°20.9°
CBBCAZCBAOAG81.8°139.1°
CAZCBBOASCBC12.7°26.5°
CAZCBBCANH2174.4°64.3°
CAZCBBCANH2243.6°55.7°
CBBCAZOAFH25180.0°179.9°
CBBCAZCBAH26153.7°97.3°
CBACAZCBBCAN153.2°121.4°
CBACAZCBBOAS31.7°2.0°
CAZCBACBCOAG118.4°118.2°
CAZCBACBCH26116.3°118.2°
CAZCBAOAGH26123.4°123.7°
CAZCBACBCN988.2°155.5°
CAZCBACBCOAS31.0°37.1°
CBACAZCBBH2385.9°117.5°
CBACAZOAFH2565.1°65.3°
CAZCBAOAGH27180.0°61.4°
CAZCBACBCH28149.4°81.4°
N7C5C6C4180.0°179.9°
N7C5C6N1179.9°180.0°
C5N7C8N90.0°0.5°
N7C5C4N90.0°0.1°
N7C5C4N3180.0°179.8°
C5N7C8H1180.0°179.9°
C8N7C5C6180.0°179.7°
C8N7C5C40.1°0.3°
N7C8N9H1180.0°179.6°
N7C8N9C40.0°0.5°
N7C8N9CBC180.0°179.5°
CAYCANCBBH21121.0°120.0°
CAYCANCBBH22121.0°120.0°
CANCAYCAMH11120.0°120.0°
CAYCANCBBOAS77.6°66.4°
CANCAYCAMCB95.9°65.5°
CANCAYCAMH9143.3°54.5°
CANCAYCAMH1024.9°174.5°
CANCAYNARH32178.3°54.2°
CAYCANH21H22116.9°120.1°
CAYCANCBBH2343.7°54.5°
CANCAYNARH1263.9°65.8°
CBBCANCAYCAM57.8°175.0°
CANCBBOASH23120.7°121.0°
CANCBBOASCBC135.2°145.9°
CBBCANCAYH1162.3°55.1°
CBBCANH21H22116.9°120.0°
CANCBBCAZH2437.8°2.8°
C5C6N1C20.1°0.0°
C6C5C4N9180.0°180.0°
C6C5C4N30.0°0.2°
C5C6N6H31180.0°0.0°
C5C6N6H3059.9°180.0°
N1C6C5C40.0°0.0°
C6N1C2N30.1°0.3°
C6N1C2H29179.9°180.0°
N1C6N6H310.0°180.0°
N1C6N6H30120.0°0.0°
C5C4N9C80.0°0.2°
C5C4N9N3180.0°179.8°
C5C4N9CBC180.0°179.7°
C5C4N3C20.0°0.5°
C8N9CBCCBA108.6°95.0°
C8N9C4CBC180.0°179.9°
C8N9C4N3180.0°180.0°
C8N9CBCOAS8.8°19.1°
C8N9CBCH28129.5°142.0°
N1C2N3C40.1°0.5°
N1C2N3H29180.0°179.7°
CAYCAMCBH9120.8°120.0°
CAYCAMCBH10120.8°120.0°
CAYCAMCBCA177.9°174.8°
CAYCAMCBH861.6°54.7°
CAYCAMCBH757.4°65.3°
CAYCAMH9H10117.5°120.1°
CAMCAYNARH3257.9°174.2°
CAMCAYCANH2163.2°55.1°
CAMCAYCANH22178.8°65.1°
CAMCAYNARH1259.9°54.2°
CBBOASCBCCBA11.8°40.1°
CBBOASCBCN9110.4°158.6°
OASCBBCANH2143.4°53.6°
OASCBBCANH22161.4°173.6°
OASCBBCAZH2483.6°116.7°
CBBOASCBCH28129.1°78.5°
CBCCBAOAGH26124.2°123.6°
CBACBCN9C471.4°85.0°
CBACBCN9OAS117.4°114.1°
CBACBCN9H28121.8°123.0°
CBACBCOASH28117.4°118.5°
CBCCBACAZH2477.9°139.5°
CBCCBAOAGH2767.6°174.1°
OAGCBACBCN9153.4°86.3°
OAGCBACBCOAS87.4°155.2°
OAGCBACAZH24162.8°102.3°
OAGCBACBCH2831.0°36.8°
N9C4N3C2180.0°179.8°
C4N9CBCOAS171.2°161.0°
C4N9C8H1180.0°180.0°
C4N9CBCH2850.5°38.1°
N3C4N9CBC0.0°0.1°
C4N3C2H29179.9°179.8°
N9CBCOASH28120.4°123.0°
CBCN9C8H10.0°0.1°
N9CBCCBAH2628.1°37.3°
CBCOASCBBH23104.1°93.1°
OASCBCCBAH26147.2°81.2°
CAMCBCAH8120.5°120.0°
CAMCBCAH7120.5°120.0°
CAMCBCAN73.5°65.0°
CAMCBCAC163.2°175.0°
CAMCBCAH344.6°55.0°
CAMCBH8H7118.5°120.0°
CBCAMH9H10117.5°120.0°
CBCAMCAYH1124.1°54.5°
CBCANC125.0°120.0°
CBCANH3117.9°120.1°
CBCACH3118.7°120.0°
CBCACO47.3°100.0°
CBCACOXT132.7°80.0°
CBCANH4180.0°180.0°
CBCANH560.0°60.0°
CACBH8H7118.4°120.0°
CACBCAMH957.1°65.2°
CACBCAMH1061.3°54.8°
CBCANH660.0°60.0°
NCACH3117.4°120.0°
NCACO171.1°20.0°
NCACOXT8.9°160.0°
CANH4H5120.0°120.0°
CANH4H6120.0°120.0°
CANH5H6120.0°120.0°
NCACBH847.0°175.0°
NCACBH7166.0°54.9°
CACOOXT180.0°180.0°
CCANH455.0°60.1°
CCANH5175.0°180.0°
CCACBH876.2°55.0°
CCACBH742.7°65.0°
CACOXTH2180.0°180.0°
CCANH665.0°60.0°
OCCAH371.5°140.0°
OCOXTH20.0°0.0°
OXTCCAH3108.6°40.0°
H3CANH462.1°59.9°
H3CANH557.9°60.1°
H3CACBH8165.1°65.0°
H3CACBH775.9°175.0°
H3CANH6177.9°179.9°
H4NH5H6120.0°120.0°
H8CBCAMH9177.6°174.7°
H8CBCAMH1059.2°65.3°
H7CBCAMH963.4°54.7°
H7CBCAMH10178.2°174.7°
H9CAMCAYH1196.7°174.5°
H10CAMCAYH11144.9°65.5°
H11CAYNARH3259.3°65.9°
H11CAYCANH21176.7°64.9°
H11CAYCANH2258.7°175.0°
H11CAYNARH12177.1°174.2°
H32NARCAKH15172.3°174.7°
H32NARCAKH1468.5°65.2°
H15CAKCAJH17178.0°180.0°
H15CAKCAJH1663.1°60.0°
H15CAKNARH1254.4°54.7°
H14CAKCAJH1758.8°60.0°
H14CAKCAJH16177.7°179.9°
H14CAKNARH12173.7°174.8°
H17CAJCAAH2059.4°180.0°
H17CAJCAAH1860.6°60.0°
H17CAJCAAH19179.5°60.0°
H16CAJCAAH2059.5°60.1°
H16CAJCAAH18179.5°179.9°
H16CAJCAAH1960.6°60.0°
H20CAAH18H19120.0°120.0°
H21CANCBBH23164.7°174.5°
H22CANCBBH2377.3°65.4°
H23CBBCAZH24158.7°123.9°
H24CAZOAFH2559.1°57.3°
H24CAZCBAH2638.4°21.3°
H26CBAOAGH2756.6°62.2°
H26CBACBCH2894.3°160.4°

225946

PDB entries from 2024-10-09

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